Mol:FL1C3AGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
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| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 30 21 1 0 0 0 0 | + | 30 21 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3AGS0001 | + | ID FL1C3AGS0001 |
| − | KNApSAcK_ID C00014499 | + | KNApSAcK_ID C00014499 |
| − | NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside | + | NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside |
| − | CAS_RN 597550-50-0 | + | CAS_RN 597550-50-0 |
| − | FORMULA C30H28O12 | + | FORMULA C30H28O12 |
| − | EXACTMASS 580.15807636 | + | EXACTMASS 580.15807636 |
| − | AVERAGEMASS 580.53612 | + | AVERAGEMASS 580.53612 |
| − | SMILES c(C=CC(c(c2O)ccc(OC(C(OC(C=Cc(c4)ccc(c4)O)=O)3)OC(CO)C(O)C(O)3)c2O)=O)(c1)ccc(c1)O | + | SMILES c(C=CC(c(c2O)ccc(OC(C(OC(C=Cc(c4)ccc(c4)O)=O)3)OC(CO)C(O)C(O)3)c2O)=O)(c1)ccc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-0.9654 2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 2.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 2.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 2.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 3.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 3.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7245 3.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 1 0 0 0 0
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9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
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14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
2 31 1 0 0 0 0
30 21 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
28 32 1 0 0 0 0
S SKP 8
ID FL1C3AGS0001
KNApSAcK_ID C00014499
NAME 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside
CAS_RN 597550-50-0
FORMULA C30H28O12
EXACTMASS 580.15807636
AVERAGEMASS 580.53612
SMILES c(C=CC(c(c2O)ccc(OC(C(OC(C=Cc(c4)ccc(c4)O)=O)3)OC(CO)C(O)C(O)3)c2O)=O)(c1)ccc(c1)O
M END
